1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone

C22H23N7O2 — CID 157191111

IUPAC1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCN(c2nc(C(=O)Cc3cc4cc(-c5cnn(C)c5)cnc4cn3)co2)CC1
InChIInChI=1S/C22H23N7O2/c1-27-3-5-29(6-4-27)22-26-20(14-31-22)21(30)9-18-8-15-7-16(10-24-19(15)12-23-18)17-11-25-28(2)13-17/h7-8,10-14H,3-6,9H2,1-2H3
InChIKeyAPSARUYNXCFXEP-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone

1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 157191111) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID157191111
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCN(c2nc(C(=O)Cc3cc4cc(-c5cnn(C)c5)cnc4cn3)co2)CC1
InChIInChI=1S/C22H23N7O2/c1-27-3-5-29(6-4-27)22-26-20(14-31-22)21(30)9-18-8-15-7-16(10-24-19(15)12-23-18)17-11-25-28(2)13-17/h7-8,10-14H,3-6,9H2,1-2H3
InChIKeyAPSARUYNXCFXEP-UHFFFAOYSA-N
XLogP2.20
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,N-diethyl-5-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-amine
CID 172452640
2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 138586885
N-[1-[1-(2-fluoroethyl)piperidin-4-yl]-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1,3-oxazole-4-carboxamide
CID 141659126
N-[3-[1-(2-fluoroethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1,3-oxazole-4-carboxamide
CID 141659226
N-[2-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 141659344
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 146940447
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159796786
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 160674046
4-[[2-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-1,3-oxazole
CID 168264133
4-Benzyl-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,3-oxazole
CID 168264140
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1,3-oxazole-4-carboxamide
CID 138586839
2-(1-methylpiperidin-4-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 138587276

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (CID 157191111) is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is CN1CCN(c2nc(C(=O)Cc3cc4cc(-c5cnn(C)c5)cnc4cn3)co2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is APSARUYNXCFXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-27-3-5-29(6-4-27)22-26-20(14-31-22)21(30)9-18-8-15-7-16(10-24-19(15)12-23-18)17-11-25-28(2)13-17/h7-8,10-14H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 417.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 157191111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).